N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide

C15H30N2O3S — CID 99827324

IUPACN-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide
SMILESC[C@@H]1CCCN(C[C@@H](C)NS(=O)(=O)CC[C@@H]2CCCO2)C1
InChIInChI=1S/C15H30N2O3S/c1-13-5-3-8-17(11-13)12-14(2)16-21(18,19)10-7-15-6-4-9-20-15/h13-16H,3-12H2,1-2H3/t13-,14-,15+/m1/s1
InChIKeyZXFBOJQCSICIKO-KFWWJZLASA-N
MW318.48 g/mol
LogP1.60
Rot. Bonds7

About N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide

N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide (PubChem CID 99827324) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide
PubChem CID99827324
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC NameN-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide
SMILESC[C@@H]1CCCN(C[C@@H](C)NS(=O)(=O)CC[C@@H]2CCCO2)C1
InChIInChI=1S/C15H30N2O3S/c1-13-5-3-8-17(11-13)12-14(2)16-21(18,19)10-7-15-6-4-9-20-15/h13-16H,3-12H2,1-2H3/t13-,14-,15+/m1/s1
InChIKeyZXFBOJQCSICIKO-KFWWJZLASA-N
XLogP1.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide with MolForge

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Related Compounds

N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide
CID 91662016
1-[(2S)-oxolan-2-yl]-N-[(2R)-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 99827262
N-[1-(3-methylpiperidin-1-yl)propan-2-yl]oxolane-3-sulfonamide
CID 146090184
N-[3-(oxolan-2-yl)propyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 65163462
1-(2,3-dimethylbutyl)-3-methylpiperidine
CID 174315397
3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577941
N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1H-imidazole-5-sulfonamide
CID 99793097
methyl (2R)-2-methyl-3-[(3S)-3-methylpiperidin-1-yl]propanoate
CID 93035160
1-(cyclopropylmethyl)-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]pyrazole-4-sulfonamide
CID 99858954
3-amino-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]benzenesulfonamide
CID 129408262
N-(4-aminobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246921
1-(3-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 47026166

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide?
The IUPAC name of N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide (CID 99827324) is N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide?
The canonical SMILES for N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide is C[C@@H]1CCCN(C[C@@H](C)NS(=O)(=O)CC[C@@H]2CCCO2)C1.
What is the InChIKey of N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide?
The InChIKey is ZXFBOJQCSICIKO-KFWWJZLASA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-13-5-3-8-17(11-13)12-14(2)16-21(18,19)10-7-15-6-4-9-20-15/h13-16H,3-12H2,1-2H3/t13-,14-,15+/m1/s1.
What are the key properties of N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide?
N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide has a molecular weight of 318.48 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-2-[(2S)-oxolan-2-yl]ethanesulfonamide is sourced from PubChem (CID 99827324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).